2-oxidanyl-2-oxidanylidene-ethanoate; 1,2,3,4-tetrahydroisoquinolin-2-ium-7-ylmethanol

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 1,2,3,4-tetrahydroisoquinolin-2-ium-7-ylmethanol Openeye Name: 2-hydroxy-2-oxo-acetate; 1,2,3,4-tetrahydroisoquinolin-2-ium-7-ylmethanol CAS Name: 2-hydroxy-2-oxoacetate; 1,2,3,4-tetrahydroisoquinolin-2-ium-7-ylmethanol IUPAC Name: 2-hydroxy-2-oxoacetate; 1,2,3,4-tetrahydroisoquinolin-2-ium-7-ylmethanol Traditional Name: 1,2,3,4-tetrahydroisoquinolin-2-ium-7-ylmethanol binoxalate Formula: C12H15NO5 MolecularWeight: 253.2512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC2=C1C=CC(=C2)CO.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1C[NH2+]CC2=C1C=CC(=C2)CO.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C10H13NO.C2H2O4/c12-7-8-1-2-9-3-4-11-6-10(9)5-8;3-1(4)2(5)6/h1-2,5,11-12H,3-4,6-7H2;(H,3,4)(H,5,6)